SCHEMBL9816708

SCHEMBL9816708

O=S(=O)(CCO)CCCCNCCCCS(=O)(=O)CCO

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 4/20 0.33
CA12 O43570 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA6 P23280 2/20 0.31
CA5A P35218 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
F13A1 P00488 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
CASP2 P42575 1/20 0.31
RECQL P46063 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9816569 0.93
SCHEMBL9248155 0.88 RELA (0.49) RELACA2ALDH1A1TSHR
SCHEMBL10810940 0.85 FNTA (0.31)
SCHEMBL11139493 0.84 APEX1 (0.36) CA12CA2CA4CA6CA5A
SCHEMBL10533376 0.82 ALDH1A1 (0.36) RELACA2ALDH1A1TSHR
SCHEMBL9816532 0.82 APEX1 (0.32)
SCHEMBL28957411 0.82 CA2 (0.37) CA2CYP11B1CYP11B2
SCHEMBL9816370 0.81 ALDH1A1 (0.50) RELACA2ALDH1A1TSHRPAOX
SCHEMBL10532224 0.81 FNTA (0.31)
SCHEMBL9178614 0.80 CYP2C19 (0.42) TSHRMEN1CYP1A2CYP2C19KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0174909-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1991-10-16 EP disclosed
US-4841028-A FOR COLD PAD-BATCH PROCESS HUNTSMAN INTERNATIONAL LLC 1989-06-20 US disclosed
US-4709018-A COLORFAST CIBA-GEIGY CORPORATION (US) 1987-11-24 US disclosed
EP-0174909-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1986-03-19 EP disclosed
EP-0076782-B1 REACTIVE DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1986-03-05 EP disclosed